Makaluvamine A; 3,4-Didehydro
AlkaPlorer ID: AK051981
Synonym: Makaluvamine B
IUPAC Name: 10-amino-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-11-one
Structure
SMILES: CN1C=C2C=C[NH+]=C3C=C(N)C(=O)C1=C32
InChI: InChI=1S/C11H9N3O/c1-14-5-6-2-3-13-8-4-7(12)11(15)10(14)9(6)8/h2-5H,12H2,1H3/p+1
InChIKey: MDDZOALUQCOAFR-UHFFFAOYSA-O
Reference
Veiutamine. A new alkaloid from the Fijian sponge Zyzzya fuliginosa
CAS: 146555-79-5
LOTUS: LTS0010959
SuperNatural Ⅲ: SN0222418
COCONUT: CNP0389249
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zyzzya fuliginosa | Zyzzya | None | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 200.22099999999995
TPSA？: 62.16
MolLogP？: 0.4883000000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | XRS6 | IC50 | 80.0 | nM | 10.1021/jm3002795 |
| Homo sapiens | HCT-116 | IC50 | 170.0 | nM | 10.1021/jm3002795 |